(1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane

C9H14 — CID 13007280

IUPAC(1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane
SMILESC/C=C1\C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2+/t7-,9-/m0/s1
InChIKeyJURLNXPXCMWCHE-WHZSQGQPSA-N
MW122.21 g/mol
LogP2.75
Rot. Bonds

About (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane

(1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane (PubChem CID 13007280) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane
PubChem CID13007280
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name(1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane
SMILESC/C=C1\C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2+/t7-,9-/m0/s1
InChIKeyJURLNXPXCMWCHE-WHZSQGQPSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethylidenenorbornene
CID 27756
5-Methylenenorbornene
CID 260380
2-Norbornene, 5-ethylidene-
CID 5365543
5-Ethylidene-2-norbornene, (Z)-
CID 5463081
2-Methylene-bicyclo(2.2.1)heptane
CID 136324
2-Methyl-2-norbornene
CID 136510
Bicyclo[2.2.1]hept-2-ene, 5-methyl-
CID 101870
Tricyclo(5.2.1.02,6)deca-2,5-diene
CID 138807
7-Methylenebicyclo(2.2.1)-heptane
CID 141635
Unii-evm7gxx83N
CID 25021948
2-Ethylidenenorbornane
CID 53744755
Bicyclo(2.2.1)hept-2-ene, 7-(1-methylethylidene)-
CID 139871

Frequently Asked Questions

What is the IUPAC name of (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane?
The IUPAC name of (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane (CID 13007280) is (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane?
The canonical SMILES for (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane is C/C=C1\C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane?
The InChIKey is JURLNXPXCMWCHE-WHZSQGQPSA-N. The full InChI is InChI=1S/C9H14/c1-2-8-5-7-3-4-9(8)6-7/h2,7,9H,3-6H2,1H3/b8-2+/t7-,9-/m0/s1.
What are the key properties of (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane?
(1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane has a molecular weight of 122.21 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,4R)-2-ethylidenebicyclo[2.2.1]heptane is sourced from PubChem (CID 13007280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).